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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5α-Reductase 1 (5α-R1)' and Ligand = 'BDBM50037922'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50037922
PNG
((4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-1-ethyl-4a,6a...)
Show SMILES CCN1C2C[C@H](C)C3C4CCC(C(C)CCCC(C)C)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C29H51NO/c1-8-30-25-18-21(5)27-23-13-12-22(20(4)11-9-10-19(2)3)28(23,6)16-14-24(27)29(25,7)17-15-26(30)31/h19-25,27H,8-18H2,1-7H3/t20?,21-,22?,23?,24?,25?,27?,28+,29+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of type 1 steroid-5-alpha-reductase


J Med Chem 37: 3871-4 (1994)


Article DOI: 10.1021/jm00049a003
BindingDB Entry DOI: 10.7270/Q2K35V8R
More data for this
Ligand-Target Pair